#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve h SER 2 N 0.00 0.00 0.00 1.61 4.64 -2.09 -1.80 113.55 115.91 1pve h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pve h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pve h SER 2 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1pve n HIS 3 N -2.75 0.00 -3.12 4.77 -0.00 -1.26 -4.92 115.22 107.95 1pve n HIS 3 Ca -0.02 -0.32 -0.06 0.00 -0.00 0.00 0.00 57.72 57.31 1pve n HIS 3 Cb 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 1pve n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1pve s MET 4 N -0.65 0.87 0.84 -1.40 1.75 -0.68 -5.16 119.30 114.88 1pve s MET 4 Ca 0.00 -0.77 -0.11 0.00 -1.25 0.00 0.00 55.69 53.56 1pve s MET 4 Cb 0.00 -0.22 0.10 0.00 2.84 0.00 0.00 34.83 37.55 1pve s MET 4 CO 0.00 -1.25 1.10 -1.25 -0.65 0.00 0.00 175.02 172.97 1pve s PRO 5 N 1.33 1.69 -1.24 4.11 0.04 -1.22 -1.24 135.00 138.47 1pve s PRO 5 Ca 0.22 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1pve s PRO 5 Cb -0.04 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1pve s PRO 5 CO -0.06 -2.02 0.08 1.28 0.04 0.00 0.00 177.00 176.31 1pve n LEU 6 N -3.77 -1.42 0.10 -3.56 4.77 -1.26 -4.87 117.00 106.98 1pve n LEU 6 Ca 0.09 0.08 0.20 0.00 -0.03 0.00 0.00 56.01 56.34 1pve n LEU 6 Cb 0.53 -2.35 0.76 0.00 -2.33 0.00 0.00 43.42 40.04 1pve n LEU 6 CO 0.53 -0.10 1.17 1.05 -1.33 0.00 0.00 177.39 178.72 1pve h GLU 7 N -0.16 0.00 0.00 3.23 4.11 -1.97 -1.05 114.58 118.74 1pve h GLU 7 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1pve h GLU 7 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pve h GLU 7 CO 0.42 0.00 0.05 0.27 0.07 0.00 0.00 179.01 179.82 1pve h PHE 8 N 0.00 0.00 0.00 2.06 -5.15 -1.94 -2.40 116.94 109.51 1pve h PHE 8 Ca 0.18 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.81 1pve h PHE 8 Cb 0.93 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.07 1pve h PHE 8 CO 0.00 0.00 -0.68 -0.07 -2.00 0.00 0.00 178.31 175.56 1pve h LEU 9 N 0.00 0.00 -1.35 2.10 3.38 -1.57 -3.43 115.31 114.44 1pve h LEU 9 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pve h LEU 9 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pve h LEU 9 CO 0.00 0.68 0.19 0.08 0.09 0.00 0.00 178.44 179.48 1pve h ARG 10 N 0.00 0.00 0.00 1.13 0.11 -1.63 -1.90 114.38 112.09 1pve h ARG 10 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pve h ARG 10 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1pve h ARG 10 CO 0.09 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.43 1pve n ASN 11 N -2.30 0.17 -4.76 0.08 6.94 -1.26 -5.01 115.26 109.10 1pve n ASN 11 Ca -0.01 -1.02 -0.37 0.00 -0.02 0.00 0.00 54.58 53.16 1pve n ASN 11 Cb 0.22 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.65 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1pve s GLN 12 N -0.02 3.55 0.50 -3.83 -1.52 -0.71 -4.79 119.66 112.84 1pve s GLN 12 Ca 0.00 1.88 0.25 0.00 -1.95 0.00 0.00 55.36 55.55 1pve s GLN 12 Cb 0.00 -2.33 1.33 0.00 -0.22 0.00 0.00 33.01 31.79 1pve s GLN 12 CO 0.00 -0.76 1.90 -1.35 -0.25 0.00 0.00 175.29 174.83 1pve h PRO 13 N 1.80 0.14 0.17 2.91 0.11 -2.00 -0.86 132.00 134.27 1pve h PRO 13 Ca -0.50 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.31 1pve h PRO 13 Cb 1.26 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.37 1pve h PRO 13 CO 0.59 0.09 -1.26 1.96 -0.21 0.00 0.00 178.00 179.17 1pve h GLN 14 N 0.14 0.56 0.00 1.05 4.20 -1.96 -3.34 115.11 115.76 1pve h GLN 14 Ca 0.40 -0.82 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 1pve h GLN 14 Cb 1.37 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1pve h GLN 14 CO -0.06 1.38 -0.23 0.35 -0.67 0.00 0.00 178.83 179.60 1pve h PHE 15 N 0.14 0.00 0.00 2.96 3.57 -1.50 0.11 116.94 122.22 1pve h PHE 15 Ca -0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1pve h PHE 15 Cb 1.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.70 1pve h PHE 15 CO 0.13 0.23 0.00 1.96 -2.23 0.00 0.00 178.31 178.40 1pve h GLN 16 N 0.00 0.00 0.00 1.11 4.20 -1.35 -3.40 115.11 115.67 1pve h GLN 16 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 16 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1pve h GLN 16 CO 0.03 0.00 -0.46 1.04 -0.67 0.00 0.00 178.83 178.77 1pve n GLN 17 N -2.68 0.00 -0.10 1.46 6.02 -0.27 -4.78 117.38 117.03 1pve n GLN 17 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1pve n GLN 17 Cb 0.10 -0.35 0.39 0.00 1.02 0.00 0.00 30.24 31.40 1pve n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pve h MET 18 N 0.00 0.63 -0.37 -1.09 -0.00 -1.06 -1.34 114.93 111.70 1pve h MET 18 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.61 1pve h MET 18 Cb 0.46 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 1pve h MET 18 CO 0.00 0.42 -0.01 0.00 -0.00 0.00 0.00 176.91 177.32 1pve h ARG 19 N 0.65 0.59 -0.32 -0.10 3.08 -1.80 -2.41 114.38 114.07 1pve h ARG 19 Ca 0.24 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1pve h ARG 19 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1pve h ARG 19 CO -0.07 0.62 0.21 1.96 -1.07 0.00 0.00 179.97 181.63 1pve h GLN 20 N 0.56 0.34 -0.11 0.04 4.20 -1.54 -1.13 115.11 117.47 1pve h GLN 20 Ca 0.12 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1pve h GLN 20 Cb 0.37 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1pve h GLN 20 CO 0.01 0.23 -0.12 0.82 -0.67 0.00 0.00 178.83 179.10 1pve h ILE 21 N 0.35 1.36 -0.17 2.54 2.04 -1.43 -3.28 117.51 118.92 1pve h ILE 21 Ca 0.12 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 1pve h ILE 21 Cb 0.07 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1pve h ILE 21 CO -0.03 0.37 -0.31 0.40 0.00 0.00 0.00 178.15 178.58 1pve h ILE 22 N -0.13 1.27 0.00 -0.67 1.08 -1.27 -0.07 117.51 117.72 1pve h ILE 22 Ca 0.02 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1pve h ILE 22 Cb 0.64 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1pve h ILE 22 CO 0.03 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.89 1pve n GLN 23 N -4.10 0.20 0.00 2.37 3.00 -0.47 -1.84 117.38 116.54 1pve n GLN 23 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1pve n GLN 23 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.16 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1pve n GLN 24 N -1.14 1.80 -3.63 -1.09 6.02 -0.81 -4.92 117.38 113.60 1pve n GLN 24 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 1pve n GLN 24 Cb 0.05 -0.90 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 1pve n GLN 24 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1pve s ASN 25 N -3.15 3.06 0.59 1.08 -0.87 -0.10 -4.97 114.94 110.58 1pve s ASN 25 Ca 0.00 -3.31 0.36 0.00 -1.57 0.00 0.00 52.86 48.34 1pve s ASN 25 Cb 0.00 -0.98 1.80 0.00 -0.02 0.00 0.00 41.25 42.05 1pve s ASN 25 CO 0.00 -0.15 2.17 1.55 -2.57 0.00 0.00 177.10 178.10 1pve h PRO 26 N 5.70 0.00 0.00 -0.60 0.13 -1.61 -1.64 132.00 133.97 1pve h PRO 26 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1pve h PRO 26 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1pve h PRO 26 CO 0.52 0.04 0.13 0.66 -0.23 0.00 0.00 178.00 179.12 1pve h SER 27 N 0.00 0.00 -0.41 1.44 4.64 -1.93 -2.21 113.55 115.07 1pve h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pve h SER 27 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pve h SER 27 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1pve n LEU 28 N -2.61 3.43 -0.04 5.97 4.77 -0.62 -4.43 117.00 123.48 1pve n LEU 28 Ca -0.02 -1.58 -0.08 0.00 -0.03 0.00 0.00 56.01 54.30 1pve n LEU 28 Cb 0.18 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1pve n LEU 28 CO 0.13 0.76 0.76 0.25 -1.33 0.00 0.00 177.39 177.96 1pve h LEU 29 N 4.18 -0.47 -0.61 2.23 5.85 -1.55 -0.76 115.31 124.17 1pve h LEU 29 Ca 0.00 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.95 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 1pve h LEU 29 CO 0.00 -0.19 0.01 -0.65 -0.34 0.00 0.00 178.44 177.28 1pve h PRO 30 N -0.14 0.12 0.00 5.25 0.11 -1.82 -1.53 132.00 134.00 1pve h PRO 30 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1pve h PRO 30 Cb 0.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1pve h PRO 30 CO -0.30 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.57 1pve n ALA 31 N -2.78 1.48 -0.04 -0.75 0.00 -0.90 -0.83 120.51 116.69 1pve n ALA 31 Ca 0.09 0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 1pve n ALA 31 Cb 0.35 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 1pve n ALA 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pve n LEU 32 N -2.26 2.74 -0.10 0.00 7.94 -0.34 -2.75 117.00 122.22 1pve n LEU 32 Ca 0.01 0.10 -0.07 0.00 -1.11 0.00 0.00 56.01 54.93 1pve n LEU 32 Cb 0.17 -1.05 0.01 0.00 0.53 0.00 0.00 43.42 43.08 1pve n LEU 32 CO 0.17 0.87 0.97 -0.07 -1.11 0.00 0.00 177.39 178.22 1pve h LEU 33 N 0.02 0.23 -1.42 -1.96 3.38 -1.12 0.20 115.31 114.65 1pve h LEU 33 Ca -0.48 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1pve h LEU 33 Cb 1.98 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1pve h LEU 33 CO 0.02 0.18 0.42 1.56 0.09 0.00 0.00 178.44 180.71 1pve h GLN 34 N 0.34 0.74 -0.18 1.13 1.08 -1.15 -1.83 115.11 115.25 1pve h GLN 34 Ca 0.15 -0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.10 1pve h GLN 34 Cb 0.07 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1pve h GLN 34 CO -0.11 0.49 -0.68 0.37 -0.95 0.00 0.00 178.83 177.95 1pve h GLN 35 N 0.76 0.78 -0.81 1.46 4.15 -1.12 -2.61 115.11 117.72 1pve h GLN 35 Ca 0.26 -0.60 0.08 0.00 0.77 0.00 0.00 58.65 59.15 1pve h GLN 35 Cb 0.07 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 1pve h GLN 35 CO -0.07 1.21 0.48 0.82 -1.93 0.00 0.00 178.83 179.34 1pve h ILE 36 N 0.52 0.97 0.00 2.39 2.04 -0.83 -1.85 117.51 120.75 1pve h ILE 36 Ca -0.03 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1pve h ILE 36 Cb 1.31 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1pve h ILE 36 CO 0.14 0.15 -0.00 1.23 0.00 0.00 0.00 178.15 179.68 1pve h GLY 37 N 0.85 0.00 1.28 5.37 0.00 -0.96 0.23 103.07 109.84 1pve h GLY 37 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1pve h GLY 37 CO -0.21 0.00 -0.25 0.54 0.00 0.00 0.00 176.54 176.63 1pve n ARG 38 N -3.23 0.18 0.00 4.80 5.12 -0.70 -4.02 116.66 118.80 1pve n ARG 38 Ca -0.03 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1pve n ARG 38 Cb 0.08 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1pve n ARG 38 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1pve n GLU 39 N -1.35 2.67 -3.09 5.56 0.28 -0.81 -4.95 120.64 118.96 1pve n GLU 39 Ca 0.08 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.88 1pve n GLU 39 Cb 0.33 -0.56 -0.04 0.00 1.43 0.00 0.00 31.44 32.60 1pve n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pve n ASN 40 N -0.44 -0.67 0.32 -1.84 2.85 0.76 -4.99 115.26 111.24 1pve n ASN 40 Ca 0.00 -2.83 0.20 0.00 -0.11 0.00 0.00 54.58 51.84 1pve n ASN 40 Cb 0.03 0.01 1.10 0.00 1.24 0.00 0.00 39.78 42.16 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pve h PRO 41 N 4.09 0.00 -0.23 1.20 0.13 -1.69 -0.84 132.00 134.65 1pve h PRO 41 Ca 0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.95 1pve h PRO 41 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1pve h PRO 41 CO 0.42 0.00 -0.64 1.96 -0.23 0.00 0.00 178.00 179.50 1pve h GLN 42 N 0.00 0.84 -0.29 0.86 4.20 -1.93 -1.65 115.11 117.13 1pve h GLN 42 Ca 0.00 -0.60 -0.08 0.00 0.06 0.00 0.00 58.65 58.03 1pve h GLN 42 Cb 0.03 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1pve h GLN 42 CO -0.00 1.22 -0.18 1.25 -0.67 0.00 0.00 178.83 180.45 1pve h LEU 43 N 0.61 0.52 0.15 1.46 5.85 -1.74 -2.99 115.31 119.17 1pve h LEU 43 Ca -0.02 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1pve h LEU 43 Cb 1.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1pve h LEU 43 CO 0.14 0.71 -0.07 0.25 -0.34 0.00 0.00 178.44 179.13 1pve h LEU 44 N 0.48 -0.17 -1.97 2.25 7.12 -0.95 0.26 115.31 122.33 1pve h LEU 44 Ca 0.08 -0.27 0.03 0.00 0.13 0.00 0.00 57.88 57.86 1pve h LEU 44 Cb 0.58 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1pve h LEU 44 CO 0.04 0.19 0.10 0.06 -0.13 0.00 0.00 178.44 178.70 1pve h GLN 45 N -0.56 0.04 -0.13 1.25 3.07 -1.42 0.21 115.11 117.57 1pve h GLN 45 Ca -0.02 -0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.57 1pve h GLN 45 Cb 0.43 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.99 1pve h GLN 45 CO 0.03 0.03 -0.48 1.96 0.09 0.00 0.00 178.83 180.46 1pve h GLN 46 N 0.04 0.56 -0.79 0.06 4.20 -1.32 -2.23 115.11 115.63 1pve h GLN 46 Ca 0.06 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.38 1pve h GLN 46 Cb 0.21 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1pve h GLN 46 CO -0.00 1.04 0.50 0.82 -0.67 0.00 0.00 178.83 180.52 1pve h ILE 47 N 0.18 1.12 -0.46 2.54 2.04 -0.58 -2.90 117.51 119.45 1pve h ILE 47 Ca -0.02 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1pve h ILE 47 Cb 1.11 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1pve h ILE 47 CO 0.10 0.18 0.06 0.28 0.00 0.00 0.00 178.15 178.77 1pve h SER 48 N 0.98 0.68 0.32 1.72 0.02 -0.94 -1.33 113.55 115.00 1pve h SER 48 Ca 0.31 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1pve h SER 48 Cb 0.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1pve h SER 48 CO -0.11 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 1pve n GLN 49 N -4.26 0.03 -0.60 3.45 6.02 -0.84 -3.43 117.38 117.76 1pve n GLN 49 Ca 0.03 0.29 0.01 0.00 -0.01 0.00 0.00 57.00 57.32 1pve n GLN 49 Cb 0.25 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.02 1pve n GLN 49 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1pve n HIS 50 N -1.45 0.00 -0.32 1.08 8.25 -0.64 -5.00 115.22 117.13 1pve n HIS 50 Ca 0.03 -0.17 0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1pve n HIS 50 Cb 0.11 -0.07 0.30 0.00 1.12 0.00 0.00 29.99 31.45 1pve n HIS 50 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1pve h GLN 51 N 0.14 0.83 -0.21 -0.41 4.15 -1.30 0.29 115.11 118.60 1pve h GLN 51 Ca -0.03 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1pve h GLN 51 Cb 1.43 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 1pve h GLN 51 CO 0.01 0.55 -0.06 0.93 -1.93 0.00 0.00 178.83 178.33 1pve h GLU 52 N 0.85 0.32 0.04 1.69 5.08 -1.91 -1.68 114.58 118.97 1pve h GLU 52 Ca 0.49 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.51 1pve h GLU 52 Cb 0.62 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1pve h GLU 52 CO -0.25 0.39 -1.44 0.45 -1.00 0.00 0.00 179.01 177.16 1pve h HIS 53 N 0.31 0.15 -0.37 4.33 3.86 -1.41 -3.31 115.15 118.70 1pve h HIS 53 Ca 0.07 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1pve h HIS 53 Cb 0.30 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1pve h HIS 53 CO 0.01 1.14 0.16 0.35 0.86 0.00 0.00 177.93 180.45 1pve h PHE 54 N 0.02 0.29 -0.72 2.45 3.57 -0.82 -2.41 116.94 119.32 1pve h PHE 54 Ca -0.19 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.44 1pve h PHE 54 Cb 1.94 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.56 1pve h PHE 54 CO 0.02 0.14 0.48 0.82 -2.23 0.00 0.00 178.31 177.54 1pve h ILE 55 N 0.33 0.87 -0.66 1.41 2.04 -1.42 0.11 117.51 120.20 1pve h ILE 55 Ca 0.16 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1pve h ILE 55 Cb 0.11 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1pve h ILE 55 CO -0.14 0.10 0.15 1.56 0.00 0.00 0.00 178.15 179.81 1pve h GLN 56 N 0.52 1.06 0.00 2.37 1.08 -1.52 0.22 115.11 118.84 1pve h GLN 56 Ca 0.34 -0.26 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 1pve h GLN 56 Cb 0.62 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1pve h GLN 56 CO -0.12 0.96 -0.65 0.52 -0.95 0.00 0.00 178.83 178.59 1pve h MET 57 N 0.99 0.00 0.20 1.46 2.86 -1.10 -3.30 114.93 116.04 1pve h MET 57 Ca 0.20 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.53 1pve h MET 57 Cb 0.39 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.07 1pve h MET 57 CO 0.01 0.65 -1.38 1.25 1.06 0.00 0.00 176.91 178.50 1pve h LEU 58 N 0.00 0.74 0.00 1.22 7.12 -0.65 -3.39 115.31 120.36 1pve h LEU 58 Ca -0.01 -0.77 -0.01 0.00 0.13 0.00 0.00 57.88 57.22 1pve h LEU 58 Cb 1.33 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1pve h LEU 58 CO 0.09 1.60 -0.83 -1.13 -0.13 0.00 0.00 178.44 178.04 1pve h ASN 59 N 0.15 0.00 -4.26 1.25 -0.73 -1.06 -3.45 115.58 107.49 1pve h ASN 59 Ca -0.21 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.44 1pve h ASN 59 Cb 2.07 0.00 0.17 0.00 0.27 0.00 0.00 38.32 40.83 1pve h ASN 59 CO 0.25 0.04 0.29 -1.83 -0.37 0.00 0.00 177.43 175.81 1pve s GLU 60 N -3.31 1.64 0.32 6.67 -1.05 -1.24 -4.97 118.70 116.76 1pve s GLU 60 Ca 0.01 1.51 -0.28 0.00 -0.15 0.00 0.00 54.97 56.05 1pve s GLU 60 Cb 0.09 -1.80 -0.09 0.00 -0.44 0.00 0.00 34.13 31.88 1pve s GLU 60 CO 0.77 -2.16 1.12 -1.25 0.95 0.00 0.00 175.26 174.68 1pve s PRO 61 N -4.51 4.46 0.63 -4.83 0.04 -1.26 -4.94 135.00 124.58 1pve s PRO 61 Ca 0.67 1.80 0.41 0.00 0.04 0.00 0.00 61.00 63.93 1pve s PRO 61 Cb -0.23 -3.01 2.12 0.00 0.04 0.00 0.00 34.50 33.43 1pve s PRO 61 CO 0.54 0.05 2.26 -0.39 0.04 0.00 0.00 177.00 179.49 1pve h VAL 62 N 2.84 0.00 -3.92 -0.36 -1.51 -1.94 -3.42 116.25 107.95 1pve h VAL 62 Ca -0.47 -0.15 -0.14 0.00 -1.23 0.00 0.00 66.70 64.71 1pve h VAL 62 Cb 1.22 1.14 -0.19 0.00 -2.13 0.00 0.00 31.29 31.33 1pve h VAL 62 CO 0.65 0.00 -0.62 -1.10 -1.23 0.00 0.00 177.57 175.28 1pve s GLN 63 N -4.00 0.47 0.06 5.19 -1.52 -1.26 -5.02 119.66 113.58 1pve s GLN 63 Ca -0.03 -0.74 -0.17 0.00 -1.95 0.00 0.00 55.36 52.46 1pve s GLN 63 Cb 0.12 0.18 0.03 0.00 -0.22 0.00 0.00 33.01 33.12 1pve s GLN 63 CO 0.44 -0.10 0.40 -2.00 -0.25 0.00 0.00 175.29 173.79 1pve s GLU 64 N -2.25 0.94 0.64 2.91 2.12 -1.26 -5.06 118.70 116.74 1pve s GLU 64 Ca -0.08 -0.44 0.35 0.00 0.36 0.00 0.00 54.97 55.15 1pve s GLU 64 Cb -0.04 0.42 1.92 0.00 0.26 0.00 0.00 34.13 36.69 1pve s GLU 64 CO -0.03 -0.33 2.15 0.00 -0.54 0.00 0.00 175.26 176.50 1pve h ALA 65 N 2.90 1.40 0.00 6.30 0.00 -2.01 -1.17 119.26 126.68 1pve h ALA 65 Ca -0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pve h ALA 65 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pve h ALA 65 CO 0.44 -0.20 -0.01 0.78 0.00 0.00 0.00 179.25 180.26 1pve h GLY 66 N 0.00 0.00 1.97 0.00 0.00 -1.97 -3.01 103.07 100.06 1pve h GLY 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1pve h GLY 66 CO -0.00 0.00 0.01 0.61 0.00 0.00 0.00 176.54 177.16 1pve n GLY 67 N -0.80 -0.86 0.31 4.60 0.00 -0.44 -1.77 105.19 106.23 1pve n GLY 67 Ca -0.02 0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.39 1pve n GLY 67 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pve h GLN 68 N 0.00 0.00 0.00 1.61 4.20 -1.77 -3.45 115.11 115.70 1pve h GLN 68 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 68 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1pve h GLN 68 CO 0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1pve n GLY 69 N -0.81 0.01 0.00 3.46 0.00 -0.84 -5.16 105.19 101.85 1pve n GLY 69 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pve n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 70 N 0.00 -0.61 0.04 -0.02 0.00 -0.73 -5.04 105.19 98.83 1pve n GLY 70 Ca 0.00 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.12 1pve n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 71 N -0.24 -0.92 0.00 -0.02 0.00 -1.26 -4.49 105.19 98.26 1pve n GLY 71 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93